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Wyniki wyszukiwania dla: temperature-dependent spectroscopy
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Thermodynamic interpretation and prediction of CO2 solubility in imidazolium ionic liquids based on regular solution theory
PublikacjaRegular solution theory (RST) is the most popular model for the interpretation of the interaction between CO2 and ionic liquids. In the present work, the parameters of this model were determined for the CO2 absorption in eleven imidazolium ionic liquids. The y-intercept (A) of the RST model for the investigated imidazolium liquids increases with increasing temperature whereas the slope (B) remains constant. The values of RST parameters...
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Miniaturized bandpass substrate integrated waveguide filter with frequency-dependent coupling realized using asymmetric GCPW discontinuity
PublikacjaAn asymmetric GCPW discontinuity is proposed to provide frequency-dependent coupling in microwave bandpass filters. Wider and narrow sections introduce, respectively, the capacitive and inductive component to the equivalent circuit representing coupling. By selecting the dimensions of the discontinuity and width of the inductive window in substrate integrated waveguide, an additional transmission zero can be introduced at prescribed...
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Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory.
PublikacjaTime dependent density functional theory calculations are applied on a series of molecular photocatalysts of the type [(tbbpy)2M1(tpphz)M2X2]2+ (M1 = Ru, Os; M2 = Pd, Pt; X = Cl, I) in order to provide information concerning the photochemistry occurring upon excitation of the compounds in the visible region. To this aim, the energies, oscillator strengths and orbital characters of the singlet and triplet excited states are investigated....
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Long-Term Stability of Benzodiazepines and Z-Hypnotic Drugs in Blood Samples Stored at Varying Temperatures
PublikacjaBenzodiazepines (BZDs) and Z-drugs are among the most commonly prescribed pharmaceuticals in the world and are considered standard care for various mental illnesses and for treatment of sleeping and anxiety disorders, alcohol withdrawal, muscle spasms and epilepsy. Some BZDs are not allowed as pharmaceuticals in many countries, and they are used as "designer benzodiazepines" (DBZDs). All these compounds are typically screened in...
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The Influence of External Additional Loading on the Muscle Activity and Ground Reaction Forces during Gait
PublikacjaAsymmetrical external loading acting on the usculoskeletal system is generally considered unhealthy. Despite this knowledge, carrying loads in an asymmetrical manner like carrying on one shoulder, with one hand, or on the strap across the torso is a common practice. This study is aimed at presenting the effects of the mentioned load carrying methods on muscle activity assessed by using thermal field and ground reaction forces....
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Phase separation in poly(butylene terephthalate)-based materials prepared by solid-state modification
PublikacjaThe morphology of a series of poly(butylene terephthalate) (PBT)/fatty acid dimer diol (FADD)-based copolyesters prepared by solid-state modi fi cation (SSM) was studied. It was shown that in copolyesters containing less than 10 wt% FADD two different phases, i.e. a PBT crystalline phase and a PBT-rich amorphous phase, are present. The FADD residues were more or less homogeneously distributed throughout the interlamellar regions....
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Ultrafast Intramolecular Relaxation and Wave-Packet Motion in a Ruthenium-Based Supramolecular Photocatalyst
PublikacjaThe hydrogen-evolving photocatalyst [(tbbpy)2 Ru(tpphz)Pd(Cl)2 ](2+) (tbbpy=4,4'-di-tert-butyl-2,2'-bipyridine, tpphz=tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine) shows excitation-wavelength-dependent catalytic activity, which has been correlated to the localization of the initial excitation within the coordination sphere. In this contribution the excitation-wavelength dependence of the early excited-state relaxation...
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Effect of Laser Treatment on Intrinsic Mechanical Stresses in Titanium and Some of Its Alloys
PublikacjaLaser surface treatment conducted at different power levels is an option to modify titanium bone implants to produce nano- and microtopography. However, such processing can lead to excess mechanical stress within the surface layer. This research aims to calculate the level of such residual stresses after the surface processing of Ti grade IV, Ti15Mo, and Ti6Al7Nb alloys with an Nd:YAG laser. Light and scanning electron microscopies...
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Rheology of potato starch chemically modified with microwave-assisted reactions
PublikacjaNative potato starch was sulfated, selenated, borated, silicated and zincatated by means of microwave-assisted reactions with varying doses of relevant reagents. Resulting products were characterized involving rheological behavior of pastes, their weight-average molecular weight (Mw), and radius of gyration (Rg). Most of the pastes showed shear-thinning behavior, with the flow behavior index (n) below unity. The pastes of starch...
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TiO2 and Reducing Gas: Intricate Relationships to Direct Reduction of Iron Oxide Pellets
PublikacjaIn response to the imperative for sustainable iron production with reduced CO2 emissions, this study delves into the intricate role of TiO2 in the direct reduction of iron oxide pellets. The TiO2-dependent reducibility of iron oxide pellets utilizing H2 and CO gas across varied temperatures and gas compositions is thoroughly investigated. Our findings unveil the nuanced nature of the TiO2 effect, underscored by its concentration-dependent...
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The accretion of the new ice layer on the surface of hexagonal ice crystal and the influence of the local electric field on this process
PublikacjaThe process of creation of a new layer of ice on the basal plane and on the prism plane of a hexagonal ice crystal is analyzed. It is demonstrated that the ordering of water molecules in the already existing crystal affects the freezing. On the basal plane, when the orientations of water molecules in the ice block are random, the arrangement of the new layer in a cubic manner is observed more frequently — approximately 1.7 times...
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SOME CONVERGENCE PROPERTIES OF THE SUM OF GAUSSIAN FUNCTIONALS
PublikacjaIn the paper, some aspects of the convergence of series of dependent Gaussian sequences problem are solved. The necessary and sufficient conditions for the convergence of series of centered dependent indicators are obtained. Some strong convergence results for weighted sums of Gaussian functionals are discussed.
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Real-time monitoring of the emission of volatile organic compounds from polylactide 3D printing filaments
PublikacjaEstablishing the emission profile of volatile organic compounds generated during fused deposition modeling 3D printing using polymer filaments is important in terms of both understanding the processes taking place during thermal degradation of thermoplastics, and assessing the user's exposure to potentially harmful volatiles. However, obtaining detailed, real-time qualitative and quantitative results poses a challenge. In this...
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Highly-Compact Dual-Band Bandpass Waveguide Filter Based on Cross-Shaped Frequency-Dependent Coupling
PublikacjaThis work reports the design of an original class of highly-compact dual-band bandpass filter based on dual-mode waveguide resonators inter-coupled through a novel type of frequency-dependent coupling (FDC). The devised FDC consists of a cross-shaped metallic structure placed in the broad wall of a rectangular waveguide. This FDC produces two additional poles and three extra transmission zeros (TZs). Specifically, each pole is...
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Bioconversion of waste materials to hydrogen via dark fermentation using Enterobacter aerogenes
PublikacjaHydrogen can be obtained via dark fermentation with the use of anaerobic Enterobacter aerogenes. The efficiency of hydrogen production by fermentation techniques is strongly dependent on the con-ditions used i.e. the pH range, temperature, composition of fermentation broths, oxygen content, or even the presence of substances with potentially inhibitory effects on the microbiological culture [1-4]. The paper describes the study...
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Beta-galactosidase activity of Meiothermus ruber cells
PublikacjaFreeze-dried cells of Meiothermus ruber catalyses cleavage of o-nitrophenyl-b-D-galactopiranoside (oNPb-gal) and conversion of lactose into glucose and galactose. The permeabilization with 2%toluene,20%ethanol and 20%acetone increased enzymatic activity from 74.87 U/g of lyophilized cells up to 129.44,114.38 and 90.19 U/g,respectively. Ethanol was an effective permeabilizing agent and its efficiency was dependent on the concentration,...
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Mechanism of reaction of RNA-dependent RNA polymerase from SARS-CoV-2
PublikacjaWe combine molecular dynamics, statistical mechanics, and hybrid quantum mechanics/molecular mechanics simulations to describe mechanistically the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) RNA-dependent RNA polymerase (RdRp). Our study analyzes the binding mode of both natural triphosphate substrates as well as remdesivir triphosphate (the active form of drug), which is bound preferentially over ATP by RdRp while...
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π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex
PublikacjaThe synthesis and characterization of a mixed metal ruthenium(II)/gold(III) complex bridged by tetrapyridophenazine (tpphz) are described. It is isostructural and isoelectronic to the well-known photocatalysts with palladium(II) or platinum(II). Concentration dependent 1H-NMR spectroscopy and XRD studies show that the electrostatic repulsion between the gold(III) moieties exceeds the attractive π-stacking interaction. Theoretical...
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Unusual Influence of Fluorinated Anions on the Stretching Vibrations of Liquid Water
PublikacjaInfrared (IR) spectroscopy is a commonly used and invaluable tool in the studies of solvation phenomena in aqueous solutions. Concurrently, ab initio molecular dynamics (AIMD) simulations deliver the solvation shell picture at a molecular detail level and allow for a consistent decomposition of the theoretical IR spectrum into underlying spatial correlations. Here, we demonstrate how the novel spectral decomposition techniques...
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Inline Microstrip Bandpass Filter With Two Transmission Zeros and Increased Order Using Spurious Resonance of Frequency-Dependent Inverter
PublikacjaA design method for a class of fourth-order inline microstrip bandpass filter with two transmission zeros and 20% fractional bandwidth is presented. The filter consists of two quarter-wavelength transmission-line resonators coupled by a frequency-dependent inverter. The inverter is composed of two open-ended stubs that are connected by an interdigital capacitor and introduces two poles and two transmission zeros in the filter response....
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Inline Waveguide Filter With Compact Frequency-Dependent Coupling Producing Two Additional Poles and Three Transmission Zeros
PublikacjaThis work reports a compact frequency-dependent coupling (FDC) structure introduced in a rectangular waveguide, which allows to generate two additional in-band transmission poles and three transmission zeros (TZs). This serves to increase the order/selectivity of the waveguide bandpass filter in a compact inline topology, thus without the need for any additional space/volume or cross coupling. The proposed FDC consists of a partial-height...
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Stress-driven nonlocal elasticity for nonlinear vibration characteristics of carbon/boron-nitride hetero-nanotube subject to magneto-thermal environment
PublikacjaStress-driven nonlocal theory of elasticity, in its differential form, is applied to investigate the nonlinear vibrational characteristics of a hetero-nanotube in magneto-thermal environment with the help of finite element method. In order to more precisely deal with the dynamic behavior of size-dependent nanotubes, a two-node beam element with six degrees-of freedom including the nodal values of the deflection, slope and curvature...
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Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2
PublikacjaThe single-crystal growth, crystal structure, heat capacity, and anisotropic magnetization characterization of Rb3Yb- (PO4)2, a Yb-based triangular lattice material, are presented. Single-crystal X-ray diffraction shows that Rb3Yb(PO4)2 exhibits [Yb(PO4)]∞ layers, with the Yb in an ordered plane of equilateral triangles. One phosphate group oxygen that is not a near neighbor of the magnetic Yb displays positional disorder. The...
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Multi-nodal PWR reactor model — Methodology proposition for power distribution coefficients calculation
PublikacjaIn the paper the multi-nodal Pressurized Water Reactor (PWR) model called Mann’s model is presented. This models is used for modelling purposes of the heat transfer from fuel to coolant in reactor core. The authors expand widely used in literature approach by defining additional coefficients for the heat transfer model. These parameters approximate the power generation distribution in the PWR reactor core according to the to the...
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Investigation of the vertical distribution of the sound speed of the Gulf of Gdansk in the years 2000-2010
PublikacjaThe conditions of the acoustic wave propagation in the southern Baltic are much more complex than in other shallow waters. In the typical shallow water, seasonal changes in acoustical conditions in the upper layer, of the depth of about 60-70 m, are observed. They are caused by variation of the annual meteorological conditions. Most often, in the deep water layer, acoustical conditions are stable throughout the year. However, in...
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The influence of polypropylene-block/graft-polycaprolactone copolymers on melt rheology, morphology, and dielectric properties of polypropylene/polycarbonate blends
PublikacjaThe paper discusses the relationship between rheology and morphology of immiscible polypropylene (matrix))/polycarbonate (dispersed phase) blends compatibilized with novel polypropylene-polycaprolactone block and graft copolymers. Transmission electron microscopy (TEM) experiments revealed uniform droplet morphologies and a reduction of the average size of the dispersed phase upon addition of the compatibilizer. The results suggested...
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Mapping the Structural and Dynamic Determinants of pH-Sensitive Heparin Binding to Granulocyte Macrophage Colony Stimulating Factor
PublikacjaGranulocyte macrophage colony stimulating factor (GMCSF) is an immunomodulatory cytokine that is harnessed as a therapeutic. GMCSF is known to interact with other clinically important molecules, such as heparin, suggesting that endogenous and administered GMCSF has the potential to modulate orthogonal treatment outcomes. Thus, molecular level characterization of GMCSF and its interactions with biologically active compounds is critical...
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Thermal, electrical, and magnetic properties of Fe2O3–PbO–SiO2 glass prepared by traditional melt-quenching and twin roller fast-cooling methods
PublikacjaIn this study, Fe–Pb–Si oxide glasses containing between 12.5 and 17.5 mol% Fe2O3 were prepared using two different methods comprising traditional melt-quenching and twin roller fast-cooling techniques. The topography and structure of the materials obtained were characterized by X-ray powder diffraction and scanning electron microscopy. All of the materials were found to be amorphous. The topography of most of the glasses comprised...
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Development of advanced machine learning for prognostic analysis of drying parameters for banana slices using indirect solar dryer
PublikacjaIn this study, eXtreme Gradient Boosting (XGBoost) and Light Gradient Boosting (LightGBM) algorithms were used to model-predict the drying characteristics of banana slices with an indirect solar drier. The relationships between independent variables (temperature, moisture, product type, water flow rate, and mass of product) and dependent variables (energy consumption and size reduction) were established. For energy consumption,...
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Synchrotron radiation photoemission spectroscopy of the oxygen modified CrCl3 surface
PublikacjaWe investigate the experimentally challenging CrCl3 surface by photon energy dependent photoemission (PE). The core and valence electrons after cleavage of a single crystal, either in a ultrahigh vacuum (UHV) or in air, are studied by keeping the samples at 150 1C, aiming at confirming the atomic composition with respect to the expected bulk atomic structure. A common spectroscopic denominator revealed by data is the presence of...
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Parametrized Local Reduced-Order Models With Compressed Projection Basis for Fast Parameter-Dependent Finite-Element Analysis
PublikacjaThis paper proposes an automated parametric local model-order reduction scheme for the expedited design of microwave devices using the full-wave finite-element method (FEM). The approach proposed here results in parameterized reduced-order models (ROMs) that account for the geometry and material variation in the selected subregion of the structure. In each subregion, a parameter-dependent projection basis is generated by concatenating...
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The role of Herzberg-Teller effects on the resonance Raman spectrum of trans-porphycene investigated by time dependent density functional theory.
PublikacjaThe S1 excited state properties as well as the associated absorption and resonance Raman (RR) spectra of trans-porphycene are investigated by means of time dependent density functional theory calculations. The relative magnitude of the Franck-Condon (FC) contribution and of the Herzberg-Teller (HT) effects is evaluated for both the absorption and RR intensities. The accuracy of the calculated spectra is assessed by employing different...
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Poloxamer: A versatile tri-block copolymer for biomedical applications
PublikacjaPoloxamers, also called Pluronic, belong to a unique class of synthetic tri-block copolymers containing central hydrophobic chains of poly(propylene oxide) sandwiched between two hydrophilic chains of poly(ethylene oxide). Some chemical characteristics of poloxamers such as temperature-dependent self-assembly and thermo-reversible behavior along with biocompatibility and physiochemical properties make poloxamer-based biomaterials...
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Mg2+ Doping Effects on the Structural and Dielectric Properties of CaCu3Ti4O12 Ceramics Obtained by Mechanochemical Synthesis
PublikacjaIn this study, ceramic CaCu3Ti4O12 (CCTO) and CaCu3−xMgxTi4O12 solid solutions in which 0.1 ≤ x ≤ 0.5 were prepared by the mechanochemical method, realized by a high‐energy ball milling technique. The effects of the Mg2+ ion concentration and sintering time on the dielectric response in the prepared ceramics were investigated and discussed. It was demonstrated that, by the use of a sufficiently high energy of mechanochemical treatment,...
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Method-Dependent Epidemiological Cutoff Values for Detection of Triazole Resistance in Candida and Aspergillus Species for the Sensititre YeastOne Colorimetric Broth and Etest Agar Diffusion Methods
PublikacjaAlthough the Sensititre Yeast-One (SYO) and Etest methods are widely utilized, interpretive criteria are not available for triazole susceptibility testing of Candida or Aspergillus species. We collected fluconazole, itraconazole, posaconazole, and voriconazole SYO and Etest MICs from 39 laboratories representing all continents for (method/agent-dependent) 11,171 Candida albicans, 215 C. dubliniensis, 4,418 C. glabrata species complex,...
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Photosensitive and pH-dependent activity of pyrazine-functionalized carbazole derivative as promising antifungal and imaging agent
PublikacjaCarbazole skeleton plays a significant role as a structural scaffold of many pharmacologically active compounds. Pyrazine-functionalized carbazole derivative was constructed by coupling 2-amino-5-bromo-3-methylaminepyrazine (ABMAP) into 3 and 6 positions of the carbazole ring. Multi-experimental methods were used, e.g., potentiometric, spectroscopic (ATR, UV, XRD powder,1H and13C NMR), electrochemical (cyclic voltammetry), and...
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Anticancer Imidazoacridinone C-1311 is Effective in Androgen-Dependent and Androgen-Independent Prostate Cancer Cells
PublikacjaAndrogen receptor (AR) plays a crutial role in prostate cancer (PCa) development and metastasis. Here, we reported potent anti-PCa activity of a small molecule imidazoacridinone C-1311. In AR-positive PCa cells, C-1311 was found to inhibit the transcriptional activity of AR uncovering a novel mechanism that may be relevant for its anticancer effect. Mechanistically, C-1311 decreased AR binding to prostate-specific antigen (PSA)...
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Solar light driven degradation of norfloxacin using as-synthesized Bi 3+ and Fe 2+ co-doped ZnO with the addition of HSO 5 – : Toxicities and degradation pathways investigation
PublikacjaIn this study, solar light responsive Bi3+ and Fe2+ doped ZnO were synthesized and used for photocatalytic degradation of norfloxacin (NOR), an emerging water pollutant. Analysis with Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), selected area electron...
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The Taste of Waste: The Edge of Eggshell Over Calcium Carbonate in Acrylonitrile Butadiene Rubber
PublikacjaRubber technology experiences a new age by the use of biowaste or natural fillers. In this regard, taking properties of reinforcing agents from biowaste fillers remains as the challenging matter. Chicken eggshell (ES) biowaste has recently been introduced to substitute calcium carbonate (CaCO3) duo to its superior properties and low price. In this work, composites based on acrylonitrile butadiene rubber (NBR) reinforced with ES...
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Influence of silver-core gold-shell nanoparticle parameters on the variation of surface-enhanced Raman spectra
PublikacjaThe detection of molecules by surface-enhanced Raman spectroscopy (SERS) is dependent on the nanomaterial used to induce the enhancement effect. This depends on a variety of parameters of the substrate such as the metal used for their creation, their shape, size and size distribution, concentration, as well as the parameters of the solution, such as packing of the nanoparticles, the complexity of the sample, the solvent, etc. It...
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Comparison of calculated and measured thermal stresses in asphalt concrete
PublikacjaThe paper presents the comparison of calculated and measured thermal stresses induced in restrained asphalt concrete specimens by cooling. Thermal stresses were measured in the Thermal Stress Restrained Specimen Test. The calculations of thermal stresses were performed with the use of a theoretical formula based on the temperature dependent stiffness modulus. The novel approach applied in this paper was that the stiffness modulus...
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New empirical correlations for the viscosity of selected organic phase change materials
PublikacjaAlthough there are many methods and instruments for measuring viscosity, it is still difficult to determine a reliable value of the dynamic viscosity of complex chemicals such as paraffins and fatty acids. This is due to the complex and heterogeneous structure of these compounds in the case of commercial products. On the other hand, the measuring instrument should be selected very carefully, including its measuring principle and...
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Modelling of heat transfer in supercritical pressure recuperators
PublikacjaIn the paper presented is analysis of convective flow heat transfer at supercritical pressure in channels of heat exchanger working in the thermodynamic cycle. The modelling is based on the division of the flow into three regions, namely the heavy fluid, a two phase flow consisting of the heavy and light fluids and finally the light fluid flow. Modelling is concentrated on the region of simultaneous flow of two fluids divided into...
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Damped forced vibration analysis of single-walled carbon nanotubes resting on viscoelastic foundation in thermal environment using nonlocal strain gradient theory
PublikacjaIn this paper, the damped forced vibration of single-walled carbon nanotubes (SWCNTs) is analyzed using a new shear deformation beam theory. The SWCNTs are modeled as a flexible beam on the viscoelastic foundation embedded in the thermal environment and subjected to a transverse dynamic load. The equilibrium equations are formulated by the new shear deformation beam theory which is accompanied with higher-order nonlocal strain...
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Probing Local Structural Changes by Sharp Luminescent Infrared Nanophosphor for Application in Light-Emitting Diodes
PublikacjaCr3+-doped infrared phosphors are promising candidates for next-generation phosphor-converted infrared light-emitting diodes (LEDs) because they can, in principle, tune and convert the luminescence spectra from an LED chip. However, most studies focus on broad-band Cr3+-doped phosphors, and the control mechanism of Cr3+-doped phosphors with sharp line emissions remains ambiguous. Here, we report LiGa5(1–x)Al5xO8:Cr3+ phosphors...
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Stability analysis of nanobeams in hygrothermal environment based on a nonlocal strain gradient Timoshenko beam model under nonlinear thermal field
PublikacjaThis article is dedicated to analyzing the buckling behavior of nanobeam subjected to hygrothermal environments based on the principle of the Timoshenko beam theory. The hygroscopic environment has been considered as a linear stress field model, while the thermal environment is assumed to be a nonlinear stress field based on the Murnaghan model. The size-dependent effect of the nanobeam is captured by the nonlocal strain gradient...
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The Influence of the Electrodeposition Parameters on the Properties of Mn-Co-Based Nanofilms as Anode Materials for Alkaline Electrolysers
PublikacjaIn this work, the influence of the synthesis conditions on the structure, morphology, and electrocatalytic performance for the oxygen evolution reaction (OER) of Mn-Co-based films is studied. For this purpose, Mn-Co nanofilm is electrochemically synthesised in a one-step process on nickel foam in the presence of metal nitrates without any additives. The possible mechanism of the synthesis is proposed. The morphology and structure...
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Acid–Base Equilibrium and Self-Association in Relation to High Antitumor Activity of Selected Unsymmetrical Bisacridines Established by Extensive Chemometric Analysis
PublikacjaUnsymmetrical bisacridines (UAs) represent a novel class of anticancer agents previously synthesized by our group. Our recent studies have demonstrated their high antitumor potential against multiple cancer cell lines and human tumor xenografts in nude mice. At the cellular level, these compounds affected 3D cancer spheroid growth and their cellular uptake was selectively modulated by quantum dots. UAs were shown to undergo metabolic...
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Experimental Investigation of the Thermal Performance of a Wickless Heat Pipe Operating with Different Fluids: Water, Ethanol, and SES36. Analysis of Influences of Instability Processes at Working Operation Parameters
PublikacjaIn this study, the influences of different parameters on performance of a wickless heat pipe have been presented. Experiments have been carried out for an input power range from 50 W to 300 W, constant cooling water mass flow rate of 0.01 kg/s, and constant temperature at the inlet to condenser of 10 C. Three working fluids have been tested: water, ethanol, and SES36 (1,1,1,3,3-Pentafluorobutane) with different filling ratios (0.32,...
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Cattaneo–Christov heat flow model for copper–water nanofluid heat transfer under Marangoni convection and slip conditions
PublikacjaThis report is devoted to the study of the flow of MHD nanofluids through a vertical porous plate with a temperature-dependent surface tension using the Cattaneo–Christov heat flow model. The energy equation was formulated using the Cattaneo–Christov heat flux model instead of Fourier’s law of heat conduction. The Tiwari–Das model was used to take into account the concentration of nanoparticles when constructing the momentum equation....